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1,5-bis(4-amoxyphenyl)-2-[bis(2-chloroethyl)aminomethyl]-4-methylene-pentane-1,5-dione

View entire compound with spectra: 1 MS (GC)

1,5-bis(4-amoxyphenyl)-2-[bis(2-chloroethyl)aminomethyl]-4-methylene-pentane-1,5-dione
SpectraBase Compound ID HcMnBGoeXJr
InChI InChI=1S/C33H45Cl2NO4/c1-4-6-8-22-39-30-14-10-27(11-15-30)32(37)26(3)24-29(25-36(20-18-34)21-19-35)33(38)28-12-16-31(17-13-28)40-23-9-7-5-2/h10-17,29H,3-9,18-25H2,1-2H3
InChIKey IJMAKYRKUMBLHV-UHFFFAOYSA-N
Mol Weight 590.6 g/mol
Molecular Formula C33H45Cl2NO4
Exact Mass 589.272564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JI5FYuPdNr6
Name 1,5-bis(4-amoxyphenyl)-2-[bis(2-chloroethyl)aminomethyl]-4-methylene-pentane-1,5-dione
Alternate Name(s) 2-[bis(2-chloroethyl)aminomethyl]-4-methylene-1,5-bis(4-pentoxyphenyl)pentane-1,5-dione 2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-bis(4-pentoxyphenyl)pentane-1,5-dione
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Formula C33H45Cl2NO4
InChI InChI=1S/C33H45Cl2NO4/c1-4-6-8-22-39-30-14-10-27(11-15-30)32(37)26(3)24-29(25-36(20-18-34)21-19-35)33(38)28-12-16-31(17-13-28)40-23-9-7-5-2/h10-17,29H,3-9,18-25H2,1-2H3
InChIKey IJMAKYRKUMBLHV-UHFFFAOYSA-N
Molecular Weight 590.632 g/mol
SMILES CCCCCOc1ccc(cc1)C(C(CC(CN(CCCl)CCCl)C(=O)c1ccc(cc1)OCCCCC)=C)=O
SPLASH splash10-03dr-9200000000-4c41ad27b13b50b930ad
Wiley ID 1438394